Molecule

ID:54679

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FNO₂
Molecular Mass
171.1689032
Exact Mass
171.06955679
Charge
0
InChI
InChI=1S/C8H10FNO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,10H2,1-2H3
InChIKey
QOIDQMOZTRAYET-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)c(cc1N)F
Isomeric Smiles
Nc1c(cc(c(c1)F)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.959122
LogD (pH = 7.4)
0.9715189
Log P
0.9716793
Molar Refractivity
43.9012
Polarizability
16.23206
Polar Surface Area
44.48
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation